| Identification | Back Directory | [Name]
PF-06305591 | [CAS]
1449473-97-5 | [Synonyms]
PF-06305591
(2R,3S)-3-amino-3-(5-(tert-butyl)
-1H-benzo[d]imidazol-2-yl)-2-
methylpropanamide
1H-Benzimidazole-2-propanamide, β-amino-6-(1,1-dimethylethyl)-α-methyl-, (αR,βS)- | [Molecular Formula]
C??H??N?O | [MOL File]
1449473-97-5.mol | [Molecular Weight]
274.36 |
| Chemical Properties | Back Directory | [Boiling point ]
537.8±50.0 °C(Predicted) | [density ]
1.176±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [form ]
Solid | [pka]
11.89±0.10(Predicted) | [color ]
White to off-white | [InChI]
1S/C15H22N4O/c1-8(13(17)20)12(16)14-18-10-6-5-9(15(2,3)4)7-11(10)19-14/h5-8,12H,16H2,1-4H3,(H2,17,20)(H,18,19)/t8-,12+/m1/s1 | [InChIKey]
APWZIFIAVVFPNT-PELKAZGASA-N | [SMILES]
C[C@@H](C(N)=O)[C@H](N)C1=NC2=CC(C(C)(C)C)=CC=C2N1 |
| Hazard Information | Back Directory | [Uses]
PF-06305591 is an effective and highly selective voltage-gated sodium channel NaV1.8 blocker. It has an IC50 value of 15 nM. It has good preclinical in vitro ADME (absorption, distribution, metabolism and excretion) and safety. It also has a number of therapeutic applications and potential therapeutic applications that can be used to treat pain. | [Preparation]
A solution of tert-butyl [(1S)-3-amino-1-(5-tert-butyl-1H-benzimidazol-2-yl)-2-methyl-3-oxopropyl]carbamate in DCM and React in TFA, then add saturated NaHCO3 aqueous solution, after treatment, PF-06305591 can be obtained. | [Biological Activity]
PF-06305591 is a potent and highly selective sodium channel Nav1.8 inhibitor.''PF-06305591 is safe and has acceptable absorptiondistributionmetabolismand elimination (ADME) properties. | [in vitro]
PF-06305591 (compound 9) has a highly attractive profile with respect to NaV selectivity, hERG activity, passive permeability and in vitro metabolic stability. < /p> | [in vivo]
PF-06305591 (compound 9) has good rat bioavailability. It offers the possibility of investigating higher IC 50 multiples of Nav1.8 blockade in the clinic, and therefore a more Thorough evaluation of the role of NaV1.8 in the treatment of pain. | [IC 50]
Nav1.8: 15 nM (IC50) | [storage]
Store at -20°C |
|
| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|